(1s 1 4s 1 ) 3 S Al 11+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3040.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 4s- electron | |
| 1 | 1s | 7.857980 | .24404624 |
| 2 | 2s | 4.010709 | -1.48878816 |
| 3 | 3s | 2.780445 | 6.23240858 |
| 4 | 4s | 2.961723 | -5.96880669 |
| 5 | 5s | 4.476805 | .27603538 |
| 6 | 4s | 7.808736 | -.05802233 |
| 7 | 5s | 46.930357 | -.00006261 |
| ORB.ENERGY,a.u. | -4.781600 | ||
| NORM | 1.000000 | < R > | 1.964234 | < R2 > | 4.339904 | < 1/R > | .756691 | < 1/R**2 > | 4.523081 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.750944 | .88932961 |
| 2 | 1s | 15.405295 | .10555038 |
| 3 | 2s | 14.972234 | .01051575 |
| 4 | 3s | 13.259706 | -.00534395 |
| 5 | 4s | 11.096363 | .00003225 |
| 6 | 5s | 16.347538 | .00034071 |
| ORB.ENERGY,a.u. | -84.000000 |
| NORM | 1.000000 | < R > | .115383 | < R2 > | .017752 | < 1/R > | 13.000507 | < 1/R**2 > | 338.027893 |
Total Energy= -89.07030541 a.u.
Kinetic Energy= 89.08364036 a.u.
Potential Energy= -178.15394577 a.u.
Virial Ratio = -1.99985031